![isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4382/438212-32-9.webp)
isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438212-32-9) is a chemical compound with molecular formula C28H31NO3S2 and molecular weight 493.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-[(6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl))carbonylamin o]-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C28H31NO3S2 |
|---|---|
| Molecular Weight | 493.17 g/mol |
| LogP | 7.0244 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.17453 |
| Heavy Atoms | 34 |
| Complexity | 1207.9694 |
Chemical Identifiers
| CAS Number | 438212-32-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C(=O)OC(C)C |
Product Overview
isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438212-32-9), with molecular formula C28H31NO3S2 and molecular weight 493.17 g/mol. IUPAC: propan-2-yl 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 7.0244 indicates that isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438212-32-9.
What is the molecular formula of isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C28H31NO3S2.
What is the molecular weight of isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 493.17 g/mol.
Where can I buy isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.